Ecosyste.ms: Issues

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GitHub / ruibin-liu/moldf issues and pull requests

#39 - Fix whitespace in `_atom_site` columns when reading PDB files

Pull Request - State: open - Opened by kamurani about 1 month ago

#38 - `moldf`-created PDB file breaks `read_pdbx` reading on title line

Issue - State: closed - Opened by kamurani about 1 month ago - 2 comments

#37 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: open - Opened by pre-commit-ci[bot] about 1 month ago

#36 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 months ago

#35 - fix typo

Pull Request - State: closed - Opened by kamurani 3 months ago

#33 - Compressed files such as `.gz` should be supported

Issue - State: open - Opened by kamurani 7 months ago - 1 comment

#32 - `read_pdb`: Trailing whitespace is not removed in column `residue_name`

Issue - State: open - Opened by kamurani 10 months ago - 2 comments

#31 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago

#30 - Update read_pdb.py

Pull Request - State: closed - Opened by jihunni about 1 year ago - 2 comments

#29 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago

#28 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago

#27 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago

#26 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#25 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#24 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#23 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#22 - Bonding

Pull Request - State: closed - Opened by Ruibin-Liu over 1 year ago

#21 - Renamed to MolDF/moldf

Pull Request - State: closed - Opened by Ruibin-Liu over 1 year ago

#20 - Introducing `.jcsv` format as a uniform file format

Issue - State: closed - Opened by Ruibin-Liu over 1 year ago - 1 comment
Labels: enhancement, good first issue

#19 - Supports multiple structures in `read_mol2`

Issue - State: open - Opened by Ruibin-Liu over 1 year ago
Labels: enhancement, good first issue

#18 - Add `read_xyz` and `write_xyz` functions

Issue - State: open - Opened by Ruibin-Liu over 1 year ago
Labels: enhancement, help wanted, good first issue

#17 - docs updated

Pull Request - State: closed - Opened by Ruibin-Liu over 1 year ago

#16 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#15 - added HETATM

Pull Request - State: closed - Opened by Ruibin-Liu over 1 year ago

#14 - Need to support multiple models in PDB

Issue - State: closed - Opened by Ruibin-Liu over 1 year ago - 1 comment

#13 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#12 - support reading from PDB

Pull Request - State: closed - Opened by Ruibin-Liu over 1 year ago

#11 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#10 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#9 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#8 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#7 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago

#6 - Add write_pdbx doc

Pull Request - State: closed - Opened by Ruibin-Liu almost 2 years ago

#5 - Write to PDBx file

Pull Request - State: closed - Opened by Ruibin-Liu almost 2 years ago

#4 - version 0.2.2

Pull Request - State: closed - Opened by Ruibin-Liu almost 2 years ago

#3 - Support ligands

Pull Request - State: closed - Opened by Ruibin-Liu almost 2 years ago

#2 - Roadmap

Issue - State: open - Opened by Ruibin-Liu about 2 years ago - 4 comments
Labels: enhancement

#1 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 years ago